LAMMPS (17 Feb 2022)
# compute stress/cylinder for a cylindrical liquid-vapor interface

units           lj
atom_style      atomic

lattice         fcc 0.8442
Lattice spacing in x,y,z = 1.6795962 1.6795962 1.6795962
region          box block -10 10 -10 10 0 10
region    liquid cylinder z 0 0 5 0 10
create_box      1 box
Created orthogonal box = (-16.795962 -16.795962 0) to (16.795962 16.795962 16.795962)
  1 by 1 by 1 MPI processor grid
create_atoms    1 region liquid
Created 3170 atoms
  using lattice units in orthogonal box = (-16.795962 -16.795962 0) to (16.795962 16.795962 16.795962)
  create_atoms CPU = 0.001 seconds
mass            1 1.0

velocity        all create 0.65 87287 loop geom

pair_style      lj/cut 2.5
pair_coeff      1 1 1.0 1.0 2.5

neighbor        0.3 bin
neigh_modify    every 20 delay 0 check no

fix             1 all nvt temp 0.65 0.65 0.2

#dump           id all atom 50 dump.cylinder

#dump           2 all image 25 image.*.jpg type type #               axes yes 0.8 0.02 view 60 -30
#dump_modify    2 pad 3

#dump           3 all movie 25 movie.mpg type type #               axes yes 0.8 0.02 view 60 -30
#dump_modify    3 pad 3

fix 2 all recenter 0 0 NULL units lattice
compute p all stress/cylinder 0 10 15 0.25
fix 3 all ave/time 100 1 100 c_p[*] file cylinder.out mode vector

thermo          50
thermo_style custom step temp epair emol etotal press c_p[15][3] c_p[15][4] c_p[15][5]

run             1000

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Your simulation uses code contributions which should be cited:

- compute stress/cylinder:

@Article{Addington,
 author = {C. K. Addington, Y. Long, K. E. Gubbins},
 title = {The pressure in interfaces having cylindrical geometry},
 journal = {J.~Chem.~Phys.},
 year =    2018,
 volume =  149,
 pages =   {084109}
}

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

  generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 20 steps, delay 0 steps, check no
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2.8
  ghost atom cutoff = 2.8
  binsize = 1.4, bins = 24 24 12
  2 neighbor lists, perpetual/occasional/extra = 1 1 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
  (2) compute stress/cylinder, occasional, copy from (1)
      attributes: half, newton on
      pair build: copy
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 3.878 | 3.878 | 3.878 Mbytes
Step Temp E_pair E_mol TotEng Press c_p[15][3] c_p[15][4] c_p[15][5] 
       0         0.65   -6.2219331            0   -5.2472407   -1.0193897   0.32064195   0.17340743   0.25100229 
      50   0.40121817   -5.7782233            0   -5.1765859  -0.33373915   0.25363113   0.28726307   0.31257228 
     100   0.56963398   -5.8789288            0   -5.0247474  -0.16859926   0.44360668   0.51390018   0.49962451 
     150   0.68424117   -5.9319873            0   -4.9059493  0.062850222   0.79698857   0.82006332   0.54174427 
     200   0.68608162   -5.9987099            0   -4.9699121   0.21439145    0.5262416   0.35324632   0.36677402 
     250   0.63422098    -6.047104            0   -5.0960726   0.30980602   0.31990528   0.51794384   0.55439151 
     300   0.64028254    -6.107331            0   -5.1472102   0.32133372   0.25974932   0.23423969   0.38800678 
     350   0.64906334   -6.1101542            0   -5.1368663   0.22288375   0.40593338   0.33184138   0.38346588 
     400   0.61848053   -6.0090821            0    -5.081654  0.053336092   0.32361049   0.23590707   0.30278183 
     450   0.60600519   -5.8710484            0   -4.9623273 -0.085701075   0.25062204   0.19408866   0.31948875 
     500   0.60383908   -5.7254198            0   -4.8199469  -0.15560848    0.4914663   0.20423135   0.31502277 
     550   0.60342483    -5.582958            0   -4.6781063  -0.18389998   0.81893511   0.48595334   0.52329443 
     600   0.61415824   -5.4571678            0   -4.5362211  -0.18398358    0.6604736   0.49706653   0.69658417 
     650   0.61997958   -5.3337392            0   -4.4040632  -0.13933776   0.51589832   0.70322669   0.59111363 
     700   0.65521411   -5.2724025            0   -4.2898914  -0.13977767   0.69933963    0.5964547   0.59421757 
     750    0.6525752     -5.18782            0   -4.2092659 -0.087418448   0.63261975   0.49555785   0.71379101 
     800    0.6711302   -5.1682283            0   -4.1618506 -0.080863195   0.66609099   0.56779202   0.64594057 
     850   0.64374266   -5.1290236            0   -4.1637142 -0.012480639   0.46355003   0.63364111   0.64701994 
     900   0.64904492   -5.1463816            0   -4.1731214 -0.015999133   0.50996272   0.40697988   0.69606954 
     950   0.64624835   -5.1529515            0   -4.1838847 0.0037696411   0.46323559   0.64562517    0.6484849 
    1000   0.64602274   -5.1525985            0   -4.1838701  0.022248112   0.62372474   0.46065491   0.45844619 
Loop time of 4.13231 on 1 procs for 1000 steps with 3170 atoms

Performance: 104542.050 tau/day, 241.995 timesteps/s
99.5% CPU use with 1 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.1551     | 1.1551     | 1.1551     |   0.0 | 27.95
Neigh   | 0.17391    | 0.17391    | 0.17391    |   0.0 |  4.21
Comm    | 0.0064512  | 0.0064512  | 0.0064512  |   0.0 |  0.16
Output  | 1.7974     | 1.7974     | 1.7974     |   0.0 | 43.50
Modify  | 0.99617    | 0.99617    | 0.99617    |   0.0 | 24.11
Other   |            | 0.003226   |            |       |  0.08

Nlocal:           3170 ave        3170 max        3170 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1074 ave        1074 max        1074 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         101768 ave      101768 max      101768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 101768
Ave neighs/atom = 32.10347
Neighbor list builds = 50
Dangerous builds not checked
Total wall time: 0:00:04
